SCHEMBL20158813

SCHEMBL20158813

CCC(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(C)cc3)cc1)C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 7/20 0.60
▸ CA1 P00915 6/20 0.60
▸ CA12 O43570 3/20 0.60
▸ ALDH1A1 P00352 4/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CA2 P00918 4/20 0.50
▸ CA4 P22748 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20158815 0.87 MEN1 (0.51) CA9CA1CA12ALDH1A1RAB9A
SCHEMBL10098940 0.81 CA9 (0.60) CA9CA1CA12ALDH1A1NPC1
SCHEMBL10098928 0.81 CA9 (0.60) CA9CA1CA12ALDH1A1NPC1
SCHEMBL17946429 0.81 CA9 (0.72) CA9CA1CA12ALDH1A1NPC1
SCHEMBL5010584 0.80 CA9 (0.85) CA9CA1CA12ALDH1A1NPC1
SCHEMBL4569585 0.79 ALDH1A1 (0.67) CA9CA1CA12ALDH1A1NPC1
SCHEMBL20158816 0.79 MEN1 (0.50) CA9CA1CA12ALDH1A1RAB9A
SCHEMBL9520986 0.78 CA9 (0.65) CA9CA1CA12ALDH1A1RAB9A
SCHEMBL7593002 0.76 CA9 (0.65) CA9CA1CA12ALDH1A1NPC1
SCHEMBL13155491 0.76 CA9 (0.65) CA9CA1CA12ALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134847-A1 POLYMERS AND RESIN COMPOSITION EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-05-17 — — US disclosed
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